1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine

C9H19NO4S2 — CID 106513325

IUPAC1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine
SMILESCCCS(=O)(=O)CCNC1CCS(=O)(=O)C1
InChIInChI=1S/C9H19NO4S2/c1-2-5-15(11,12)7-4-10-9-3-6-16(13,14)8-9/h9-10H,2-8H2,1H3
InChIKeyJFXLJROCHCRNOT-UHFFFAOYSA-N
MW269.39 g/mol
LogP-0.41
Rot. Bonds6

About 1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine

1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine (PubChem CID 106513325) has the molecular formula C9H19NO4S2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine
PubChem CID106513325
Molecular FormulaC9H19NO4S2
Molecular Weight269.39 g/mol
Exact Mass269.08
IUPAC Name1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine
SMILESCCCS(=O)(=O)CCNC1CCS(=O)(=O)C1
InChIInChI=1S/C9H19NO4S2/c1-2-5-15(11,12)7-4-10-9-3-6-16(13,14)8-9/h9-10H,2-8H2,1H3
InChIKeyJFXLJROCHCRNOT-UHFFFAOYSA-N
XLogP-0.41
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(1,1-dioxothiolan-3-yl)amino]ethylsulfonyl]-N-methylacetamide
CID 114231963
4-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 103830760
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
N-(2-propylsulfonylethyl)thian-4-amine
CID 106724514
N-(3,3-dimethylbutyl)-1,1-dioxothiolan-3-amine
CID 60683378
2-[(1,1-dioxothian-3-yl)amino]ethanesulfonamide
CID 63911062
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride
CID 146012772
N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine
CID 81105550
3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide
CID 106059860
N-(1,1-dioxothiolan-3-yl)-N'-(4-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 62558264
N-(1,1-dioxothiolan-3-yl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 62554082

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine?
The IUPAC name of 1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine (CID 106513325) is 1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine?
The canonical SMILES for 1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine is CCCS(=O)(=O)CCNC1CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine?
The InChIKey is JFXLJROCHCRNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S2/c1-2-5-15(11,12)7-4-10-9-3-6-16(13,14)8-9/h9-10H,2-8H2,1H3.
What are the key properties of 1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine?
1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine has a molecular weight of 269.39 g/mol, XLogP of -0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine is sourced from PubChem (CID 106513325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).